Basic information
- Standard SMILES
Oc1ccc2c(-c3ccccc3)nnc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2c1- InChIKey
BWLXKKXJTDGVSF-UHFFFAOYSA-N- Molecular formula
- C30H28N4O
- Average molar mass
- 460.6 g/mol
Names & identifiers
- Preferred name
- 7-Hydroxy-n-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-phenylphthalazin-1-amine
- IUPAC
- 4-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]-1-phenylphthalazin-6-ol
Names & synonyms
SCHEMBL4840544BWLXKKXJTDGVSF-UHFFFAOYSA-N7-hydroxy-n-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-phenylphthalazin-1-amine
Database identifiers
- PubChem CID
- 136394903
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 661
Related reactions
1 records
Compound notes
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